UCSF

ZINC01042292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 6.02 -47.58 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.27 6.2 -105.56 0 6 -2 96 414.508 6
Mid Mid (pH 6-8) 4.27 6.16 -44.87 1 6 -1 94 415.516 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )